Information card for entry 4107437

Structure parameters

• Formula: C46 H70 Cl2 N2 O4 Zr
• Calculated formula: C46 H70 Cl2 N2 O4 Zr
• Title of publication: Titanium and Zirconium Complexes of Robust Salophan Ligands. Coordination Chemistry and Olefin Polymerization Catalysis
• Authors of publication: Shimrit Gendler; Ayellet L. Zelikoff; Jacob Kopilov; Israel Goldberg; Moshe Kol
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2144 - 2145
• a: 10.8402 ± 0.0002 Å
• b: 29.5584 ± 0.0005 Å
• c: 15.483 ± 0.0003 Å
• α: 90°
• β: 100.674 ± 0.0008°
• γ: 90°
• Cell volume: 4875.2 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No